Publications
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2004. Integrating three views of Arf1 activation dynamics. J. Mol. Biol.. 337:969–983.
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2016. Hybridizing Rapidly Exploring Random Trees and Basin Hopping Yields an Improved Exploration of Energy Landscapes. J. Comput. Chem.. 37:752.
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2010. How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics. Bmc Genomics. 11, S5
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1990. A hierarchical `nesting' approach to describe the stability of alpha helices with side-chain interactions. Biopolymers. 30:335–347.
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1987. Gas-solution microcalorimeter for determining heat binding curves. Rev. Sci. Instr.. 58:632–638.
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2011. Free energy profiles along consensus normal modes provide insight into HIV-1 protease flap opening. J. Chem. Theor. Comput.. 7:2348–52.
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1996. Finding and visualizing nucleic acid base stacking. J Mol Graph. 14:6–11.
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1995. Estimating friction coefficients of mixed globular/chain molecules, such as protein/DNA complexes. Biophys. J.. 69:840–848.
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1988. Enthalpy of dimerization of benzene in water. J. Phys. Chem.. 92:3623–3625.
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1985. Dry deposition of nitric acid to grass. J. Geophys. Res.. 90:2085–2090.
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2009. Disulfide bond substitution by directed evolution in an engineered binding-protein scaffold.. Chembiochem. 10:1349–1359.
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2002. Differential core histone binding behavior: RNA polymerase I promoter region vs 5S rDNA positioning DNA sequences. Cell Biochem. Biophys.. 37:1–13.
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1986. Cooperative free energies for nested allosteric models as applied to human hemoglobin. Biophys. J.. 50:747–752.
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2010. Consensus Modes, a robust description of protein collective motions from multiple-minima normal mode analysis–application to the HIV-1 protease.. Phys. Chem. Chem. Phys.. 12:2850–2859.
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2015. Conformational ensembles and sampled landscapes: analysis and comparison. J. Comp. Chem.. 36:1213–31.
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2010. A computational study of a recreated G protein-GEF reaction intermediate competent for nucleotide exchange: fate of the Mg ion. Plos One. 5:e9142.
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2011. Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
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1991. A combined study of aggregation, membrane affinity and pore activity of natural and modified melittin. Biochim. Biophys. Acta. 1069:77–86.
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1997. Collective-variable Monte Carlo simulation of DNA. J. Comp. Chem.. 18:2001–2011.
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2015. Changes in protein structure at the interface accompanying complex formation.. Iucrj. 2:643–652.
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1987. Carbon dioxide and oxygen linkage in human hemoglobin tetramers. J. Mol. Biol.. 196:927–934.
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1987. Calorimetric studies of oxygen and carbon monoxide binding to human hemoglobin. Sequential binding heats for oxygen. J. Biol. Chem.. 262:10994–10999.
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1987. Calorimetric analysis of oxygen binding to lobster hemocyanin. Invertebrate Oxygen Carriers.
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2022. Building Biological Relevance Into Integrative Modelling of Macromolecular Assemblies. Frontiers in Molecular Biosciences. 9:826136.